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BDBM50172798 CHEMBL3809116

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(O)=O

InChI Key: InChIKey=OCMQTALHBUOBFN-GJZGRUSLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50172798   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (Human))
BDBM50172798
PNG
(CHEMBL3809116)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(O)=O
Show InChI InChI=1S/C19H28N4O5/c1-12(2)8-15(19(27)28)23-18(26)14(9-13-6-4-3-5-7-13)22-17(25)11-21-16(24)10-20/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins fol...


J Med Chem 59: 3920-34 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00134
BindingDB Entry DOI: 10.7270/Q26D5VWH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50172798
PNG
(CHEMBL3809116)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(O)=O
Show InChI InChI=1S/C19H28N4O5/c1-12(2)8-15(19(27)28)23-18(26)14(9-13-6-4-3-5-7-13)22-17(25)11-21-16(24)10-20/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins followed by sub...


J Med Chem 59: 3920-34 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00134
BindingDB Entry DOI: 10.7270/Q26D5VWH
More data for this
Ligand-Target Pair